5-methoxy-2-[[9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol

Systemtic Name: 5-methoxy-2-[[9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 5-methoxy-2-[[9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 5-methoxy-2-[[9-methoxy-7-(4-methylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[9-methoxy-7-(p-tolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(C=C(C=C4)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=C(C=C(C=C4)OC)O

InChI

InChI=1S/C25H27NO4/c1-17-4-6-18(7-5-17)20-12-21-16-26(10-11-30-25(21)24(13-20)29-3)15-19-8-9-22(28-2)14-23(19)27/h4-9,12-14,27H,10-11,15-16H2,1-3H3/p+1